trichloroneodymium hexahydrate

• ChemBase ID: 146711
• Molecular Formular: Cl3H12NdO6
• Molecular Mass: 358.69068
• Monoisotopic Mass: 354.87766914
• SMILES: O.O.O.O.O.O.Cl[Nd](Cl)Cl
• Canonical SMILES: Cl[Nd](Cl)Cl.O.O.O.O.O.O
• InChI: InChI=1S/3ClH.Nd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• InChIKey: PCORICZHGNSNIZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroneodymium hexahydrate
• IUPAC Traditional name: neodymium(III) chloride hexahydrate
• Synonyms: Neodymium(III) chloride hexahydrate; 氯化钕(III) 六水合物

Database IDs

• CAS Number: 13477-89-9
• EC Number: 233-031-5
• MDL Number: MFCD00149801
• PubChem SID: 162240903; 24857394
• PubChem CID: 71311234

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9035
• LogD (pH = 7.4): 1.9035
• Log P: 1.9035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 13.109501 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps
• Melting Point: 124 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: NdCl3 · 6H2O

DETAILS

Sigma Aldrich - 289183

Packaging
25 g in glass bottle